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QUS : Summary
Code 
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QUS
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One-letter code 
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X
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Molecule name 
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(S)-2-AMINO-3-(3,5-DIOXO-[1,2,4]OXADIAZOLIDIN-2-YL)-PROPIONIC ACID
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Synonyms 
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QUISQUALATE
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Systematic names 
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Formula 
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C5 H7 N3 O5
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Formal charge 
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0
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Molecular weight 
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189.126 Da
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SMILES 
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
O=C1NC(=O)ON1CC(N)C(=O)O |
SMILES
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CACTVS |
3.341 |
N[CH](CN1OC(=O)NC1=O)C(O)=O |
SMILES
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OpenEye OEToolkits |
1.5.0 |
C(C(C(=O)O)N)N1C(=O)NC(=O)O1 |
Canonical SMILES
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CACTVS |
3.341 |
N[C@@H](CN1OC(=O)NC1=O)C(O)=O |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
C([C@@H](C(=O)O)N)N1C(=O)NC(=O)O1 |
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IUPAC InChI  | InChI=1S/C5H7N3O5/c6-2(3(9)10)1-8-4(11)7-5(12)13-8/h2H,1,6H2,(H,9,10)(H,7,11,12)/t2-/m0/s1 |
IUPAC InChI key  | ASNFTDCKZKHJSW-REOHCLBHSA-N |
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wwPDB Information |
Atom count 
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20 (13 without Hydrogen)
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Polymer type 
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Bound ligand
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Type description 
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NON-POLYMER
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Type code 
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HETAIN
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Is modified 
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No
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Standard parent 
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Not Assigned
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Defined at 
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2002-09-05
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Last modified at 
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2020-06-17
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Status 
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Released
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Obsoleted 
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Not Assigned
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